4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide

C32H35FN4O5 — CID 45216330

IUPAC4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESCOc1cc2nc(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)c3ccc(NC(C)=O)cc3)cc2c(OC)c1OC
InChIInChI=1S/C32H35FN4O5/c1-20(38)34-25-13-9-22(10-14-25)32(39)37(16-15-21-7-11-24(33)12-8-21)19-23-17-26-27(35-31(23)36(2)3)18-28(40-4)30(42-6)29(26)41-5/h7-14,17-18H,15-16,19H2,1-6H3,(H,34,38)
InChIKeyLGBIRIDJFCOXGJ-UHFFFAOYSA-N
MW574.65 g/mol
LogP5.31
Rot. Bonds11

About 4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide

4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 45216330) has the molecular formula C32H35FN4O5 and a molecular weight of 574.65 g/mol. Its IUPAC name is 4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID45216330
Molecular FormulaC32H35FN4O5
Molecular Weight574.65 g/mol
Exact Mass574.26
IUPAC Name4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESCOc1cc2nc(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)c3ccc(NC(C)=O)cc3)cc2c(OC)c1OC
InChIInChI=1S/C32H35FN4O5/c1-20(38)34-25-13-9-22(10-14-25)32(39)37(16-15-21-7-11-24(33)12-8-21)19-23-17-26-27(35-31(23)36(2)3)18-28(40-4)30(42-6)29(26)41-5/h7-14,17-18H,15-16,19H2,1-6H3,(H,34,38)
InChIKeyLGBIRIDJFCOXGJ-UHFFFAOYSA-N
XLogP5.31
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.65
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
CID 615754
6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 25218732
3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 6621232
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide
CID 10072518
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[(dimethylamino)methyl]-N-methylbenzamide
CID 10097792
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methyl-4-[[methyl-[6-(methylamino)hexyl]amino]methyl]benzamide
CID 10651334
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-2-[(6-aminohexylamino)methyl]-N-methylbenzamide
CID 10745791
[4-(4-Amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl](phenyl)methanone
CID 14069001
2,3,4-trimethoxy-N-2-quinolinylbenzamide
CID 2994144
4-[(2-Chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzamide
CID 22692751
8-[4-(6,7-Dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
CID 71510856

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide (CID 45216330) is 4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide is COc1cc2nc(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)c3ccc(NC(C)=O)cc3)cc2c(OC)c1OC.
What is the InChIKey of 4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is LGBIRIDJFCOXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O5/c1-20(38)34-25-13-9-22(10-14-25)32(39)37(16-15-21-7-11-24(33)12-8-21)19-23-17-26-27(35-31(23)36(2)3)18-28(40-4)30(42-6)29(26)41-5/h7-14,17-18H,15-16,19H2,1-6H3,(H,34,38).
What are the key properties of 4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide?
4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 574.65 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 45216330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).